2-(ethanoylsulfanylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]butanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]butanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methyl]butanoic acid CAS Name: 2-[(acetylthio)methyl]-2-[[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]methyl]butanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]methyl]butanoic acid Traditional Name: 2-[(acetylthio)methyl]-2-[[6-(tert-butoxycarbonylamino)-3-pyridyl]methyl]butyric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)(CSC(=O)C)C(=O)O

Isomeric SMILES

CCC(CC1=CN=C(C=C1)NC(=O)OC(C)(C)C)(CSC(=O)C)C(=O)O

InChI

InChI=1S/C18H26N2O5S/c1-6-18(15(22)23,11-26-12(2)21)9-13-7-8-14(19-10-13)20-16(24)25-17(3,4)5/h7-8,10H,6,9,11H2,1-5H3,(H,22,23)(H,19,20,24)